2-amino-5-bromo-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide

C19H24BrN5O4S — CID 24789925

IUPAC2-amino-5-bromo-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide
SMILESCOc1ccccc1N1CCN(C(=O)CCNS(=O)(=O)c2cc(Br)cnc2N)CC1
InChIInChI=1S/C19H24BrN5O4S/c1-29-16-5-3-2-4-15(16)24-8-10-25(11-9-24)18(26)6-7-23-30(27,28)17-12-14(20)13-22-19(17)21/h2-5,12-13,23H,6-11H2,1H3,(H2,21,22)
InChIKeyYCQNRIDKKNGXJD-UHFFFAOYSA-N
MW498.40 g/mol
LogP1.45
Rot. Bonds7

About 2-amino-5-bromo-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide

2-amino-5-bromo-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide (PubChem CID 24789925) has the molecular formula C19H24BrN5O4S and a molecular weight of 498.40 g/mol. Its IUPAC name is 2-amino-5-bromo-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide
PubChem CID24789925
Molecular FormulaC19H24BrN5O4S
Molecular Weight498.40 g/mol
Exact Mass497.07
IUPAC Name2-amino-5-bromo-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide
SMILESCOc1ccccc1N1CCN(C(=O)CCNS(=O)(=O)c2cc(Br)cnc2N)CC1
InChIInChI=1S/C19H24BrN5O4S/c1-29-16-5-3-2-4-15(16)24-8-10-25(11-9-24)18(26)6-7-23-30(27,28)17-12-14(20)13-22-19(17)21/h2-5,12-13,23H,6-11H2,1H3,(H2,21,22)
InChIKeyYCQNRIDKKNGXJD-UHFFFAOYSA-N
XLogP1.45
TPSA117.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.40
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-bromo-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide (CID 24789925) is 2-amino-5-bromo-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide is COc1ccccc1N1CCN(C(=O)CCNS(=O)(=O)c2cc(Br)cnc2N)CC1.
What is the InChIKey of 2-amino-5-bromo-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide?
The InChIKey is YCQNRIDKKNGXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN5O4S/c1-29-16-5-3-2-4-15(16)24-8-10-25(11-9-24)18(26)6-7-23-30(27,28)17-12-14(20)13-22-19(17)21/h2-5,12-13,23H,6-11H2,1H3,(H2,21,22).
What are the key properties of 2-amino-5-bromo-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide?
2-amino-5-bromo-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide has a molecular weight of 498.40 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide is sourced from PubChem (CID 24789925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).